[(2R)-4,5-bis(oxidanylidene)-1-(3-propan-2-yloxypropyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2R)-4,5-bis(oxidanylidene)-1-(3-propan-2-yloxypropyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2R)-1-(3-isopropoxypropyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2R)-4,5-dioxo-1-(3-propan-2-yloxypropyl)-2-thiophen-2-yl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2R)-4,5-dioxo-1-(3-propan-2-yloxypropyl)-2-thiophen-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2R)-1-(3-isopropoxypropyl)-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H22NO4S- MolecularWeight: 384.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC=CS3

Isomeric SMILES

CC(C)OCCCN1[C@H](C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CC=CS3

InChI

InChI=1S/C21H23NO4S/c1-14(2)26-12-7-11-22-18(16-10-6-13-27-16)17(20(24)21(22)25)19(23)15-8-4-3-5-9-15/h3-6,8-10,13-14,18,23H,7,11-12H2,1-2H3/p-1/t18-/m0/s1